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(+/-)-4beta-(Acetoxymethyl)-1beta-(5-amino-6-chloro-4-pyrimidinylamino)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol

View entire compound with spectra: 1 MS (GC)

(+/-)-4beta-(Acetoxymethyl)-1beta-(5-amino-6-chloro-4-pyrimidinylamino)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol
SpectraBase Compound ID 53ATQgjSFkQ
InChI InChI=1S/C15H21ClN4O5/c1-7(21)23-5-15(22)4-8(10-11(15)25-14(2,3)24-10)20-13-9(17)12(16)18-6-19-13/h6,8,10-11,22H,4-5,17H2,1-3H3,(H,18,19,20)/t8-,10+,11+,15+/m1/s1
InChIKey YPPYIVCWUPDEFD-HFJLCZBOSA-N
Mol Weight 372.81 g/mol
Molecular Formula C15H21ClN4O5
Exact Mass 372.120047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RtP4DIxZQ
Name (+/-)-4beta-(Acetoxymethyl)-1beta-(5-amino-6-chloro-4-pyrimidinylamino)-2alpha,3alpha-O-isopropylidene-2alpha,3alpha,4alpha-cyclopentanetriol
Alternate Name(s) ((3aS,4S,6R,6aS)-6-((5-amino-6-chloropyrimidin-4-yl)amino)-4-hydroxy-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21ClN4O5
InChI InChI=1S/C15H21ClN4O5/c1-7(21)23-5-15(22)4-8(10-11(15)25-14(2,3)24-10)20-13-9(17)12(16)18-6-19-13/h6,8,10-11,22H,4-5,17H2,1-3H3,(H,18,19,20)/t8-,10+,11+,15+/m1/s1
InChIKey YPPYIVCWUPDEFD-HFJLCZBOSA-N
Literature Reference DOI 10.1002/hlca.19830660702
Molecular Weight 372.809 g/mol
SMILES N([C@]1([C@]2([C@@]([C@@](C1)(O)COC(C)=O)(OC(O2)(C)C)[H])[H])[H])c1c(c(ncn1)Cl)N
SPLASH splash10-0006-3694000000-2dd5df1e8e7d94190e44
Source of Spectrum H-66-1920-12
Wiley ID 1794796